1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone

C11H18F2N2O2 — CID 116991142

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)1-4-15(5-2-11)10(16)7-9-8-17-6-3-14-9/h9,14H,1-8H2
InChIKeyOYXHUWRLWXURCO-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.62
Rot. Bonds2

About 1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone

1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone (PubChem CID 116991142) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone
PubChem CID116991142
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)1-4-15(5-2-11)10(16)7-9-8-17-6-3-14-9/h9,14H,1-8H2
InChIKeyOYXHUWRLWXURCO-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone (CID 116991142) is 1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone is O=C(CC1COCCN1)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone?
The InChIKey is OYXHUWRLWXURCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c12-11(13)1-4-15(5-2-11)10(16)7-9-8-17-6-3-14-9/h9,14H,1-8H2.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone?
1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone has a molecular weight of 248.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 116991142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).